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5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylidene-thiazolidin-4-one 55111-68-7 98%
【Name】
5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylidene-thiazolidin-4-one
【CAS Registry number】
55111-68-7
【Synonyms】
AC1L7T4Q
(5E)-5-(4-chlorobenzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
MolPort-000-653-883
(5Z)-5-(4-chlorobenzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
【Molecular Formula】
C16H10ClNOS2 (Products with the same molecular formula)
【Molecular Weight】
331.8397
Chemical and Physical Properties
【Density】
1.48g/cm3
【Boiling Point】
476.7°Cat760mmHg
【Flash Point】
242.1°C
【Computed Properties】
Molecular Weight:331.8397 [g/mol]
Molecular Formula:C16H10ClNOS2
XLogP3-AA:5.2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:330.989233
MonoIsotopic Mass:330.989233
Topological Polar Surface Area:77.7
Heavy Atom Count:21
Formal Charge:0
Complexity:451
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:3
Effective Rotor Count:2.4
Conformer Sampling RMSD:0.6
CID Conformer Count:3
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